Geometry & MOs

Info

ID:	28742
PubChem CID:	829278
Reduced:	SO3N4C12H16 (1)
Stoich.:	AB3C4D12E16 (1)
Weight, g/mol:	258.082684
ΔH_f, kcal/mol:	-100.11
Dipole, Da:	2.01
IP(EA), eV:	-8.96(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=C(N=C1SCC(=O)C)N(C(=O)N(C2=O)C)C

DOS

IR

Vibrations